SCHEMBL976292

SCHEMBL976292

CNc1nc(Cl)c(Cl)c(N2CCN(CC[C@H]3CC[C@H](N)CC3)CC2)n1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
HTR1A P08908 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2A P28223 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL976291 1.00 DRD2 (0.49) DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL979003 0.99 DRD2 (0.48) DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL979004 0.99 DRD2 (0.48) DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL15741316 0.98 DRD2 (0.47) DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL15741452 0.98 DRD2 (0.47) DRD2HTR1ADRD3HTR2A
SCHEMBL979018 0.89 DRD2 (0.47) DRD2HTR1ADRD3HTR2A
SCHEMBL979015 0.89 DRD2 (0.47) DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL979027 0.88 DRD2 (0.47) DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL979029 0.88 DRD2 (0.47) DRD2HTR1ADRD3HTR2A
SCHEMBL2308496 0.86 DRD2 (0.44) DRD2DRD3HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284338-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF PYRIMIDINYL-PIPERAZINE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2015-10-08 US disclosed
EP-2922825-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF PYRIMIDINYL-PIPERAZINE DERIVATIVES Richter Gedeon Nyrt. (HU) 2015-09-30 EP disclosed
US-8802672-B2 Pyrimidinyl-piperazines useful as D3/D2 receptor ligands RICHTER GEDEON NYRT. (HU) 2014-08-12 US disclosed
WO-2014080342-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF PYRIMIDINYL-PIPERAZINE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2014-05-30 WO disclosed
EP-2132185-B1 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2011-08-03 EP disclosed
US-20110112093-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT. 2011-05-12 US disclosed
US-7875610-B2 trans-N-(4-{2-[4-(5,6-dichloro-2-methylamino-pyrimidin-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-acetamide; for treating Parkinson's disease; reacting trans-(4-{4-[2-(4-amino-cyclohexyl)-ethyl]-piperazin-1-yl}-5,6-dichloro-pyrimidin-2-yl)-methyl-amine trihydrochloride with acetyl chloride RICHTER GEDEON NYRT. (HU) 2011-01-25 US disclosed
EP-2132185-A2 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3/D2 RECEPTOR LIGANDS Richter Gedeon NYRT (HU) 2009-12-16 EP disclosed
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT. (HU) 2009-06-04 US disclosed
WO-2008125891-A2 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3 /D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2008-10-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110112093-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 DRD2 1/4885HTR1A 107/4885DRD3 2/4885
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 DRD2 1/4885HTR1A 107/4885DRD3 2/4885
US-20150284338-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF PYRIMIDINYL-PIPERAZINE DERIVATIVES QDPR, DHPS, DDC DRD2 273/4885HTR1A 619/4885DRD3 964/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.